SCHEMBL6316828

SCHEMBL6316828

CN(C(=O)c1ccc(Cl)cc1Cl)C(Cc1ccc(Br)s1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6317288 0.81 PPARA (0.46) CYP3A4SMN1; SMN2TSHRCASP1ALDH1A1
SCHEMBL6324583 0.81 PPARG (0.43) CYP3A4SMN1; SMN2TSHRCASP1MAPT
SCHEMBL6325131 0.79 TMEM97 (0.49) CYP3A4SMN1; SMN2TSHRCASP1NPC1
SCHEMBL6325127 0.79 TMEM97 (0.49) CYP3A4SMN1; SMN2TSHRCASP1NPC1
SCHEMBL6319916 0.78 PPARA (0.39) L3MBTL1TMEM97SIGMAR1
SCHEMBL6320732 0.78 PPARA (0.39) L3MBTL1TMEM97SIGMAR1
SCHEMBL6317829 0.70 TP53 (0.36) CYP3A4ALDH1A1TMEM97SIGMAR1
SCHEMBL6317818 0.69 MMP12 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL6316688 0.67 PPARA (0.41) NPC1RAB9ATMEM97SIGMAR1
SCHEMBL6316686 0.67 PPARA (0.41) NPC1RAB9ATMEM97SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
EP-1395571-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Shire Biochem Inc. (CA) 2004-03-10 EP disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US disclosed
WO-2002100846-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2002-12-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS CYP3A4 452/4885L3MBTL1 2825/4885SMN1; SMN2 591/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.